D472-0539 Screening compound: 8,9-dimethyl-2-(2-methylphenyl)-7-(4-methyl-2-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

D472-0539 Screening compound: 8,9-dimethyl-2-(2-methylphenyl)-7-(4-methyl-2-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
D472-0539 Screening compound: 8,9-dimethyl-2-(2-methylphenyl)-7-(4-methyl-2-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D472-0539
8,9-dimethyl-2-(2-methylphenyl)-7-(4-methyl-2-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D472-0539

Molecular Formula

C22H20N6 (C22 H20 N6)

Compound Name

8,9-dimethyl-2-(2-methylphenyl)-7-(4-methyl-2-pyridyl)-7H-pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

IUPAC name

1112-dimethyl-4-(2-methylphenyl)-10-(4-methylpyridin-2-yl)-356810-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(9)24711-pentaene

SMILES

Cc(c1c2ncn3nc(-c4c(C)cccc4)nc13)c(C)n2-c1nccc(C)c1

InChI

InChI=1S/C22H20N6/c1-13-9-10-23-18(11-13)28-16(4)15(3)19-21(28)24-12-27-22(19)25-20(26-27)17-8-6-5-7-14(17)2/h5-12H,1-4H3

InChI Key

LATHYXBVZOQEEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18180649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.278

Distribution Coefficient, logD

2.525

Water Solubility, LogSw

-4.69

Polar Surface Area

41.329

Acid Dissociation Constant (pKa)

27.20

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D472-0539 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D472-0539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D472-0539?
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What is the minimum amount of D472-0539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D472-0539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D472-0539
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D472-0539 available by request